3-cyclopropyl-2-(5-methylfuran-2-yl)sulfonyl-7-oxa-2-azaspiro[3.5]nonane

C15H21NO4S — CID 138993694

IUPAC3-cyclopropyl-2-(5-methylfuran-2-yl)sulfonyl-7-oxa-2-azaspiro[3.5]nonane
SMILESCc1ccc(S(=O)(=O)N2CC3(CCOCC3)C2C2CC2)o1
InChIInChI=1S/C15H21NO4S/c1-11-2-5-13(20-11)21(17,18)16-10-15(6-8-19-9-7-15)14(16)12-3-4-12/h2,5,12,14H,3-4,6-10H2,1H3
InChIKeyFYVPHJZZIVLDMT-UHFFFAOYSA-N
MW311.40 g/mol
LogP2.17
Rot. Bonds3

About 3-cyclopropyl-2-(5-methylfuran-2-yl)sulfonyl-7-oxa-2-azaspiro[3.5]nonane

3-cyclopropyl-2-(5-methylfuran-2-yl)sulfonyl-7-oxa-2-azaspiro[3.5]nonane (PubChem CID 138993694) has the molecular formula C15H21NO4S and a molecular weight of 311.40 g/mol. Its IUPAC name is 3-cyclopropyl-2-(5-methylfuran-2-yl)sulfonyl-7-oxa-2-azaspiro[3.5]nonane.

Molecular Properties

Compound Name3-cyclopropyl-2-(5-methylfuran-2-yl)sulfonyl-7-oxa-2-azaspiro[3.5]nonane
PubChem CID138993694
Molecular FormulaC15H21NO4S
Molecular Weight311.40 g/mol
Exact Mass311.12
IUPAC Name3-cyclopropyl-2-(5-methylfuran-2-yl)sulfonyl-7-oxa-2-azaspiro[3.5]nonane
SMILESCc1ccc(S(=O)(=O)N2CC3(CCOCC3)C2C2CC2)o1
InChIInChI=1S/C15H21NO4S/c1-11-2-5-13(20-11)21(17,18)16-10-15(6-8-19-9-7-15)14(16)12-3-4-12/h2,5,12,14H,3-4,6-10H2,1H3
InChIKeyFYVPHJZZIVLDMT-UHFFFAOYSA-N
XLogP2.17
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-cyclopropyl-2-(5-methylfuran-2-yl)sulfonyl-7-oxa-2-azaspiro[3.5]nonane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-2-(5-methylfuran-2-yl)sulfonyl-7-oxa-2-azaspiro[3.5]nonane?
The IUPAC name of 3-cyclopropyl-2-(5-methylfuran-2-yl)sulfonyl-7-oxa-2-azaspiro[3.5]nonane (CID 138993694) is 3-cyclopropyl-2-(5-methylfuran-2-yl)sulfonyl-7-oxa-2-azaspiro[3.5]nonane.
What is the SMILES notation for 3-cyclopropyl-2-(5-methylfuran-2-yl)sulfonyl-7-oxa-2-azaspiro[3.5]nonane?
The canonical SMILES for 3-cyclopropyl-2-(5-methylfuran-2-yl)sulfonyl-7-oxa-2-azaspiro[3.5]nonane is Cc1ccc(S(=O)(=O)N2CC3(CCOCC3)C2C2CC2)o1.
What is the InChIKey of 3-cyclopropyl-2-(5-methylfuran-2-yl)sulfonyl-7-oxa-2-azaspiro[3.5]nonane?
The InChIKey is FYVPHJZZIVLDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4S/c1-11-2-5-13(20-11)21(17,18)16-10-15(6-8-19-9-7-15)14(16)12-3-4-12/h2,5,12,14H,3-4,6-10H2,1H3.
What are the key properties of 3-cyclopropyl-2-(5-methylfuran-2-yl)sulfonyl-7-oxa-2-azaspiro[3.5]nonane?
3-cyclopropyl-2-(5-methylfuran-2-yl)sulfonyl-7-oxa-2-azaspiro[3.5]nonane has a molecular weight of 311.40 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-2-(5-methylfuran-2-yl)sulfonyl-7-oxa-2-azaspiro[3.5]nonane is sourced from PubChem (CID 138993694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).